(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone

C17H33N3O — CID 102706693

IUPAC(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC1CC(C)C(C(=O)N2CCN(C(C)(C)C)CC2)CC1N
InChIInChI=1S/C17H33N3O/c1-12-10-13(2)15(18)11-14(12)16(21)19-6-8-20(9-7-19)17(3,4)5/h12-15H,6-11,18H2,1-5H3
InChIKeyWMOUCKITVMILPV-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.94
Rot. Bonds1

About (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone

(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 102706693) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID102706693
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC1CC(C)C(C(=O)N2CCN(C(C)(C)C)CC2)CC1N
InChIInChI=1S/C17H33N3O/c1-12-10-13(2)15(18)11-14(12)16(21)19-6-8-20(9-7-19)17(3,4)5/h12-15H,6-11,18H2,1-5H3
InChIKeyWMOUCKITVMILPV-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62782120
(5-amino-2,4-dimethylcyclohexyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 102706478
(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 64823652
(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 102706745
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 102706777
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 102706440
(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,4-dimethylcyclohexyl)methanone
CID 102728751
[(3S)-1-tert-butyl-4-methylpyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 177166859

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone (CID 102706693) is (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone is CC1CC(C)C(C(=O)N2CCN(C(C)(C)C)CC2)CC1N.
What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is WMOUCKITVMILPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-12-10-13(2)15(18)11-14(12)16(21)19-6-8-20(9-7-19)17(3,4)5/h12-15H,6-11,18H2,1-5H3.
What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone?
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 295.47 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 102706693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).